4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C12H17ClN2O — CID 63350986

IUPAC4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCOCCc1nc(Cl)c2c(n1)CCCCC2
InChIInChI=1S/C12H17ClN2O/c1-16-8-7-11-14-10-6-4-2-3-5-9(10)12(13)15-11/h2-8H2,1H3
InChIKeyXZWAARAWIVRDMF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 63350986) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID63350986
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCOCCc1nc(Cl)c2c(n1)CCCCC2
InChIInChI=1S/C12H17ClN2O/c1-16-8-7-11-14-10-6-4-2-3-5-9(10)12(13)15-11/h2-8H2,1H3
InChIKeyXZWAARAWIVRDMF-UHFFFAOYSA-N
XLogP2.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
CID 115345603
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928850
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761
4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63891705
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 106815258
4-chloro-2-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 79201968
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 63350986) is 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is COCCc1nc(Cl)c2c(n1)CCCCC2.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is XZWAARAWIVRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-8-7-11-14-10-6-4-2-3-5-9(10)12(13)15-11/h2-8H2,1H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 240.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 63350986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).